Crystallography Open Database

Information card for entry 1519230

1519229 << 1519230 >> 1519231

Preview

Coordinates	1519230.cif
External links	PubChem

Structure parameters

Common name	p-aminobenzenesulfonamido-5-chloropyridine
Chemical name	p-aminobenzenesulfonamido-5-chloropyridine
Formula	C11 H10 Cl N3 O2 S
Calculated formula	C11 H10 Cl N3 O2 S
SMILES	S(=O)(=O)(Nc1ncc(Cl)cc1)c1ccc(N)cc1
Title of publication	p-aminobenzenesulfonamide-5-chloropyridine
Authors of publication	Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1999
Pages of publication	175
a	12.476 ± 0.002 Å
b	14.045 ± 0.003 Å
c	15.134 ± 0.003 Å
α	90°
β	109.33 ± 0.03°
γ	90°
Cell volume	2502.4 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519230.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519230.cif
135548	2015-05-05	cif/ Adding structures of 1519230 via cif-deposit CGI script.	1519230.cif